(3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate

C21H21N3O5S — CID 46819279

IUPAC(3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2nc3ccccc3nc2C)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C21H21N3O5S/c1-13-18(23-17-6-4-3-5-16(17)22-13)12-29-21(25)14-7-10-19(28-2)20(11-14)30(26,27)24-15-8-9-15/h3-7,10-11,15,24H,8-9,12H2,1-2H3
InChIKeyNHOIZAXRSPYHNI-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.74
Rot. Bonds7

About (3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate

(3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate (PubChem CID 46819279) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is (3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name(3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
PubChem CID46819279
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name(3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2nc3ccccc3nc2C)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C21H21N3O5S/c1-13-18(23-17-6-4-3-5-16(17)22-13)12-29-21(25)14-7-10-19(28-2)20(11-14)30(26,27)24-15-8-9-15/h3-7,10-11,15,24H,8-9,12H2,1-2H3
InChIKeyNHOIZAXRSPYHNI-UHFFFAOYSA-N
XLogP2.74
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700583
(2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991073
(3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700570
(2-chloro-6-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991085
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 16570626
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27702678
2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 9380316
[4-(2-cyanophenyl)phenyl]methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 30292306
[2-(1-adamantyl)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27702712
ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 9228353
[2-(2,4-dimethylphenyl)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7519345
[2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7519308

Frequently Asked Questions

What is the IUPAC name of (3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of (3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate (CID 46819279) is (3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for (3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for (3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate is COc1ccc(C(=O)OCc2nc3ccccc3nc2C)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of (3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The InChIKey is NHOIZAXRSPYHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-13-18(23-17-6-4-3-5-16(17)22-13)12-29-21(25)14-7-10-19(28-2)20(11-14)30(26,27)24-15-8-9-15/h3-7,10-11,15,24H,8-9,12H2,1-2H3.
What are the key properties of (3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
(3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate has a molecular weight of 427.48 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 46819279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).